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Safety Information

412600

Sigma-Aldrich

4-tert-Butyl-2-nitrophenol

97%

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About This Item

Linear Formula:
(CH3)3CC6H3(NO2)OH
CAS Number:
Molecular Weight:
195.22
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

bp

97 °C/1 mmHg (lit.)

mp

27-29 °C (lit.)

density

1.12 g/mL at 25 °C (lit.)

functional group

nitro

SMILES string

CC(C)(C)c1ccc(O)c(c1)[N+]([O-])=O

InChI

1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

InChI key

IHGNADPMUSNTJW-UHFFFAOYSA-N

Application

4-tert-Butyl-2-nitrophenol may be used for the preparation of (2-hydroxy-3-nitro-5-tert-butylbenzyl)trimethylammonium iodide.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Vitaly A Osyanin et al.
The Journal of organic chemistry, 79(3), 1192-1198 (2014-01-15)
The first example of the use of potassium trinitromethanide as a 1,1-ambiphilic synthon equivalent for the construction of a benzofuran moiety mediated by triethylamine has been developed. The method tolerates a variety of functional groups on the starting quaternary ammonium
Condensations of N-arylhydroxylamines for the preparation of 5,5'-di-tert-butyl-2,2'-dihydroxydiphenylamine.
Spence JD, et al.
Tetrahedron Letters, 44(4), 849-851 (2003)
Yong Zhang et al.
Analytica chimica acta, 899, 75-84 (2015-11-10)
In this research, the applicability of a new sorbent based on boronate affinity material is demonstrated. For this purpose, six strong polar nitrophenols were selected as models which are difficult to be extracted in neutral form (only based on hydrophobic

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